N-(cyanomethyl)-N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(cyanomethyl)-N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzene-1-sulfonamide
N-(cyanomethyl)-N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | D513-3558 |
| Compound Name: | N-(cyanomethyl)-N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C16 H16 N6 O2 S |
| Smiles: | Cc1ccc(cc1)S(N(CC#N)c1nc2nc(C)cc(C)n2n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6795 |
| logD: | 1.6795 |
| logSw: | -2.4186 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.052 |
| InChI Key: | WZSCWBDVUMROID-UHFFFAOYSA-N |